A Searchable Data Bank of NMR Spectra

Chinese Journal of Magnetic Resonance ›› 2007, Vol. 24 ›› Issue (2): 119-123.

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A Searchable Data Bank of NMR Spectra

XIE Di-lin；CHEN Zhong；DENG Si-shan

1.Medical Science Research Institute of Fujian Province, Fuzhou 350001, China; 2.Departments of Physics and Chemistry, Xiamen University, Xiamen 361005, China

Received:2006-08-11 Revised:2006-10-18 Published:2007-06-05 Online:2009-12-05
Contact: Xie Di-li

Abstract

Abstract:

A searchable data bank of NMR spectra is developed. The database includes approximately 64 000 ¹H NMR spectra and 42 000 ¹³C NMR spectra, along with chemical structures and molecular formula of the relevant compounds. The database can be searched by the serial number and molecular formula of the chemicals. The system program is written in Visual Basic language, and runs under Microsoft Windows system. The spectra database and spectral information are administrated by Microsoft Access. The database enables rapid generation of relevant NMR spectra by inputting spectral information and NMR spectra that are unavailable from commercial sources.

Key words: nuclear magnetic resonance, spectrum, database, search engine

XIE Di-lin；CHEN Zhong；DENG Si-shan

A Searchable Data Bank of NMR Spectra

[J]. Chinese Journal of Magnetic Resonance, 2007, 24(2): 119-123.

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A Searchable Data Bank of NMR Spectra

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